disodium;6-amino-5-[[4-(2-phenylethenyl)-3-sulfonatophenyl]diazenyl]naphthalene-2-sulfonate

C24H17N3Na2O6S2 — CID 57354773

IUPACdisodium;6-amino-5-[[4-(2-phenylethenyl)-3-sulfonatophenyl]diazenyl]naphthalene-2-sulfonate
SMILESNc1ccc2cc(S(=O)(=O)[O-])ccc2c1/N=N/c1ccc(C=Cc2ccccc2)c(S(=O)(=O)[O-])c1.[Na+].[Na+]
InChIInChI=1S/C24H19N3O6S2.2Na/c25-22-13-9-18-14-20(34(28,29)30)11-12-21(18)24(22)27-26-19-10-8-17(23(15-19)35(31,32)33)7-6-16-4-2-1-3-5-16;;/h1-15H,25H2,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/b7-6?,27-26+;;
InChIKeyNKGTZKMQFBLVBM-ZCKNGVGTSA-L
MW553.53 g/mol
LogP-1.18
Rot. Bonds6

About disodium;6-amino-5-[[4-(2-phenylethenyl)-3-sulfonatophenyl]diazenyl]naphthalene-2-sulfonate

disodium;6-amino-5-[[4-(2-phenylethenyl)-3-sulfonatophenyl]diazenyl]naphthalene-2-sulfonate (PubChem CID 57354773) has the molecular formula C24H17N3Na2O6S2 and a molecular weight of 553.53 g/mol. Its IUPAC name is disodium;6-amino-5-[[4-(2-phenylethenyl)-3-sulfonatophenyl]diazenyl]naphthalene-2-sulfonate.

Molecular Properties

Compound Namedisodium;6-amino-5-[[4-(2-phenylethenyl)-3-sulfonatophenyl]diazenyl]naphthalene-2-sulfonate
PubChem CID57354773
Molecular FormulaC24H17N3Na2O6S2
Molecular Weight553.53 g/mol
Exact Mass553.04
IUPAC Namedisodium;6-amino-5-[[4-(2-phenylethenyl)-3-sulfonatophenyl]diazenyl]naphthalene-2-sulfonate
SMILESNc1ccc2cc(S(=O)(=O)[O-])ccc2c1/N=N/c1ccc(C=Cc2ccccc2)c(S(=O)(=O)[O-])c1.[Na+].[Na+]
InChIInChI=1S/C24H19N3O6S2.2Na/c25-22-13-9-18-14-20(34(28,29)30)11-12-21(18)24(22)27-26-19-10-8-17(23(15-19)35(31,32)33)7-6-16-4-2-1-3-5-16;;/h1-15H,25H2,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/b7-6?,27-26+;;
InChIKeyNKGTZKMQFBLVBM-ZCKNGVGTSA-L
XLogP-1.18
TPSA165.14 Ų
H-Bond Donors1
H-Bond Acceptors9
Rotatable Bonds6
Heavy Atoms37
Complexity—

Lipinski Rule of Five

1 violation

RuleValue
MW ≤ 500553.53
LogP ≤ 5-1.18
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 109

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'azo_A(324)', 'substructure': 'N/A'}, {'alert_name': 'aniline', 'substructure': 'N/A'}, {'alert_name': 'diazo_group', 'substructure': 'N/A'}, {'alert_name': 'stilbene', 'substructure': 'N/A'}, {'alert_name': 'Sulfonic_acid_2', 'substructure': 'N/A'}

Analyze disodium;6-amino-5-[[4-(2-phenylethenyl)-3-sulfonatophenyl]diazenyl]naphthalene-2-sulfonate with MolForge

Explore ADMET properties, 3D molecular structure, drug-likeness score, and discover similar compounds using our AI-powered platform.

Launch Full Analysis

Related Compounds

tetrasodium;5-amino-8-[[4-[(E)-2-[4-[(4-amino-7-sulfonatonaphthalen-1-yl)diazenyl]-2-sulfonatophenyl]ethenyl]-3-sulfonatophenyl]diazenyl]naphthalene-2-sulfonate
CID 102532596
hexasodium;5-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]-2-[(E)-2-[2-sulfonato-4-[[3-sulfonato-4-[(E)-2-[2-sulfonato-4-[[4-[(4-sulfonatophenyl)diazenyl]phenyl]diazenyl]phenyl]ethenyl]phenyl]diazenyl]phenyl]ethenyl]benzenesulfonate
CID 100952539
5-amino-8-[[4-[(E)-2-[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfonatophenyl]diazenyl]naphthalene-2-sulfonate
CID 146870314
disodium;6-amino-5-[(4-ethylsulfonylphenyl)diazenyl]naphthalene-2-sulfonate;hydrogen sulfate
CID 59012407
6-hydroxy-5-[[4-[(E)-2-[4-[(2-hydroxy-6-sulfonaphthalen-1-yl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]naphthalene-2-sulfonic acid
CID 135484801
6-hydroxy-5-[[4-[(Z)-2-[4-[(2-hydroxy-6-sulfonaphthalen-1-yl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]naphthalene-2-sulfonic acid
CID 135499323
3-hydroxy-4-phenyldiazenylnaphthalene-2,7-disulfonate
CID 3947723
sodium 8-amino-5-[[4-[(E)-2-[4-[(4-amino-6-sulfonaphthalen-1-yl)diazenyl]-2-sulfophenyl]ethenyl]-3-sulfophenyl]diazenyl]naphthalene-2-sulfonic acid
CID 54599676
sodium 5-[(4-aminophenyl)diazenyl]-6-hydroxynaphthalene-2-sulfonate
CID 135482633
sodium 5-[(4-hydroxyphenyl)diazenyl]-6-phenyldiazenylnaphthalene-2-sulfonate
CID 135482636
5-[(4-aminonaphthalen-1-yl)diazenyl]-2-[2-[4-[(4-aminonaphthalen-1-yl)diazenyl]phenyl]ethenyl]benzenesulfonic acid
CID 123942651
5-amino-8-[[4-[(E)-2-[4-[(4-amino-7-sulfonaphthalen-1-yl)diazenyl]-2-sulfophenyl]ethenyl]phenyl]diazenyl]naphthalene-2-sulfonic acid
CID 10010342

Frequently Asked Questions

What is the IUPAC name of disodium;6-amino-5-[[4-(2-phenylethenyl)-3-sulfonatophenyl]diazenyl]naphthalene-2-sulfonate?
The IUPAC name of disodium;6-amino-5-[[4-(2-phenylethenyl)-3-sulfonatophenyl]diazenyl]naphthalene-2-sulfonate (CID 57354773) is disodium;6-amino-5-[[4-(2-phenylethenyl)-3-sulfonatophenyl]diazenyl]naphthalene-2-sulfonate.
What is the SMILES notation for disodium;6-amino-5-[[4-(2-phenylethenyl)-3-sulfonatophenyl]diazenyl]naphthalene-2-sulfonate?
The canonical SMILES for disodium;6-amino-5-[[4-(2-phenylethenyl)-3-sulfonatophenyl]diazenyl]naphthalene-2-sulfonate is Nc1ccc2cc(S(=O)(=O)[O-])ccc2c1/N=N/c1ccc(C=Cc2ccccc2)c(S(=O)(=O)[O-])c1.[Na+].[Na+].
What is the InChIKey of disodium;6-amino-5-[[4-(2-phenylethenyl)-3-sulfonatophenyl]diazenyl]naphthalene-2-sulfonate?
The InChIKey is NKGTZKMQFBLVBM-ZCKNGVGTSA-L. The full InChI is InChI=1S/C24H19N3O6S2.2Na/c25-22-13-9-18-14-20(34(28,29)30)11-12-21(18)24(22)27-26-19-10-8-17(23(15-19)35(31,32)33)7-6-16-4-2-1-3-5-16;;/h1-15H,25H2,(H,28,29,30)(H,31,32,33);;/q;2*+1/p-2/b7-6?,27-26+;;.
What are the key properties of disodium;6-amino-5-[[4-(2-phenylethenyl)-3-sulfonatophenyl]diazenyl]naphthalene-2-sulfonate?
disodium;6-amino-5-[[4-(2-phenylethenyl)-3-sulfonatophenyl]diazenyl]naphthalene-2-sulfonate has a molecular weight of 553.53 g/mol, XLogP of -1.18, 6 rotatable bonds, 1 hydrogen bond donors, and 9 hydrogen bond acceptors.
Where does this data come from?
All data for disodium;6-amino-5-[[4-(2-phenylethenyl)-3-sulfonatophenyl]diazenyl]naphthalene-2-sulfonate is sourced from PubChem (CID 57354773), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).